# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_rory2a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Rh(Cp*)(N3)2(PPh3)
_chemical_name_common            Rh(Cp*)(N3)2(PPh3)
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H30 N6 P Rh'
_chemical_formula_sum            'C28 H30 N6 P Rh'
_chemical_formula_weight         584.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  -P2ybc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.620(4)
_cell_length_b                   8.6155(17)
_cell_length_c                   17.542(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.87(3)
_cell_angle_gamma                90.00
_cell_volume                     2631.0(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3185
_cell_measurement_theta_min      2.3398
_cell_measurement_theta_max      20.9941

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1200
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7090
_exptl_absorpt_correction_T_max  0.9782
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32677
_diffrn_reflns_av_R_equivalents  0.1154
_diffrn_reflns_av_sigmaI/netI    0.0931
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         27.52
_reflns_number_total             5883
_reflns_number_gt                3946
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Ortep-3 for Windows'


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0420P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5883
_refine_ls_number_parameters     330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.0874
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.330674(18) 0.38846(3) 0.149141(17) 0.01573(10) Uani 1 1 d . . .
P1 P 0.21472(6) 0.48401(12) 0.17879(6) 0.0170(2) Uani 1 1 d . . .
N1 N 0.2853(2) 0.4128(4) 0.03214(18) 0.0227(8) Uani 1 1 d . . .
N2 N 0.2389(2) 0.3186(4) 0.00257(18) 0.0251(8) Uani 1 1 d . . .
N3 N 0.1944(3) 0.2325(5) -0.0289(2) 0.0436(11) Uani 1 1 d . . .
N4 N 0.36759(19) 0.6239(4) 0.14761(18) 0.0224(7) Uani 1 1 d . . .
N5 N 0.39684(19) 0.6622(4) 0.0922(2) 0.0223(8) Uani 1 1 d . . .
N6 N 0.4253(2) 0.7079(4) 0.0414(2) 0.0325(9) Uani 1 1 d . . .
C1 C 0.3601(2) 0.2166(5) 0.2427(2) 0.0222(9) Uani 1 1 d . . .
C2 C 0.3444(2) 0.1403(4) 0.1686(2) 0.0233(9) Uani 1 1 d . . .
C3 C 0.4018(2) 0.1904(5) 0.1241(2) 0.0226(9) Uani 1 1 d . . .
C4 C 0.4491(2) 0.3006(5) 0.1668(2) 0.0209(9) Uani 1 1 d . . .
C5 C 0.4232(2) 0.3178(5) 0.2412(2) 0.0204(9) Uani 1 1 d . . .
C6 C 0.3199(3) 0.1817(5) 0.3105(2) 0.0319(11) Uani 1 1 d . . .
H6A H 0.3452 0.0940 0.3396 0.048 Uiso 1 1 calc R . .
H6B H 0.2661 0.1552 0.2920 0.048 Uiso 1 1 calc R . .
H6C H 0.3221 0.2731 0.3441 0.048 Uiso 1 1 calc R . .
C7 C 0.2891(3) 0.0101(5) 0.1468(3) 0.0347(11) Uani 1 1 d . . .
H7A H 0.2680 0.0179 0.0919 0.052 Uiso 1 1 calc R . .
H7B H 0.2473 0.0163 0.1776 0.052 Uiso 1 1 calc R . .
H7C H 0.3159 -0.0893 0.1567 0.052 Uiso 1 1 calc R . .
C8 C 0.4088(3) 0.1342(5) 0.0436(2) 0.0330(11) Uani 1 1 d . . .
H8A H 0.4347 0.2135 0.0170 0.050 Uiso 1 1 calc R . .
H8B H 0.3575 0.1149 0.0148 0.050 Uiso 1 1 calc R . .
H8C H 0.4387 0.0379 0.0471 0.050 Uiso 1 1 calc R . .
C9 C 0.5172(2) 0.3843(5) 0.1457(3) 0.0315(10) Uani 1 1 d . . .
H9A H 0.5644 0.3379 0.1733 0.047 Uiso 1 1 calc R . .
H9B H 0.5148 0.4939 0.1601 0.047 Uiso 1 1 calc R . .
H9C H 0.5171 0.3760 0.0900 0.047 Uiso 1 1 calc R . .
C10 C 0.4649(2) 0.4119(5) 0.3058(2) 0.0308(11) Uani 1 1 d . . .
H10A H 0.4407 0.3974 0.3520 0.046 Uiso 1 1 calc R . .
H10B H 0.4627 0.5219 0.2913 0.046 Uiso 1 1 calc R . .
H10C H 0.5186 0.3784 0.3165 0.046 Uiso 1 1 calc R . .
C11 C 0.2273(2) 0.6215(5) 0.2590(2) 0.0198(8) Uani 1 1 d . . .
C12 C 0.2921(2) 0.6096(6) 0.3139(2) 0.0309(10) Uani 1 1 d . . .
H12 H 0.3298 0.5338 0.3076 0.037 Uiso 1 1 calc R . .
C13 C 0.3034(3) 0.7052(6) 0.3779(2) 0.0350(12) Uani 1 1 d . . .
H13 H 0.3477 0.6930 0.4158 0.042 Uiso 1 1 calc R . .
C14 C 0.2504(3) 0.8180(5) 0.3863(2) 0.0333(11) Uani 1 1 d . . .
H14 H 0.2585 0.8866 0.4292 0.040 Uiso 1 1 calc R . .
C15 C 0.1851(3) 0.8311(6) 0.3321(3) 0.0389(12) Uani 1 1 d . . .
H15 H 0.1479 0.9080 0.3384 0.047 Uiso 1 1 calc R . .
C16 C 0.1730(3) 0.7336(5) 0.2686(2) 0.0307(11) Uani 1 1 d . . .
H16 H 0.1277 0.7434 0.2318 0.037 Uiso 1 1 calc R . .
C17 C 0.1499(2) 0.3368(5) 0.2061(2) 0.0193(9) Uani 1 1 d . . .
C18 C 0.1248(2) 0.3372(5) 0.2778(2) 0.0219(9) Uani 1 1 d . . .
H18 H 0.1423 0.4156 0.3144 0.026 Uiso 1 1 calc R . .
C19 C 0.0747(3) 0.2242(5) 0.2960(3) 0.0304(11) Uani 1 1 d . . .
H19 H 0.0576 0.2256 0.3448 0.036 Uiso 1 1 calc R . .
C20 C 0.0494(2) 0.1089(5) 0.2429(3) 0.0312(10) Uani 1 1 d . . .
H20 H 0.0142 0.0325 0.2550 0.037 Uiso 1 1 calc R . .
C21 C 0.0753(2) 0.1053(5) 0.1725(3) 0.0300(10) Uani 1 1 d . . .
H21 H 0.0586 0.0249 0.1367 0.036 Uiso 1 1 calc R . .
C22 C 0.1250(2) 0.2170(5) 0.1540(2) 0.0257(10) Uani 1 1 d . . .
H22 H 0.1426 0.2132 0.1055 0.031 Uiso 1 1 calc R . .
C23 C 0.1538(2) 0.5941(4) 0.1035(2) 0.0186(8) Uani 1 1 d . . .
C24 C 0.0738(2) 0.5791(5) 0.0892(2) 0.0257(10) Uani 1 1 d . . .
H24 H 0.0493 0.5008 0.1147 0.031 Uiso 1 1 calc R . .
C25 C 0.0306(3) 0.6783(5) 0.0379(2) 0.0270(10) Uani 1 1 d . . .
H25 H -0.0236 0.6662 0.0276 0.032 Uiso 1 1 calc R . .
C26 C 0.0650(3) 0.7947(5) 0.0013(2) 0.0300(11) Uani 1 1 d . . .
H26 H 0.0345 0.8641 -0.0327 0.036 Uiso 1 1 calc R . .
C27 C 0.1435(3) 0.8093(5) 0.0142(2) 0.0269(10) Uani 1 1 d . . .
H27 H 0.1675 0.8878 -0.0117 0.032 Uiso 1 1 calc R . .
C28 C 0.1881(2) 0.7103(5) 0.0650(2) 0.0228(9) Uani 1 1 d . . .
H28 H 0.2424 0.7217 0.0737 0.027 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N1 2.095(3) . ?
Rh1 N4 2.132(3) . ?
Rh1 C2 2.173(4) . ?
Rh1 C5 2.197(4) . ?
Rh1 C4 2.197(4) . ?
Rh1 C3 2.201(4) . ?
Rh1 C1 2.212(4) . ?
Rh1 P1 2.3345(11) . ?
P1 C17 1.821(4) . ?
P1 C11 1.827(4) . ?
P1 C23 1.833(4) . ?
N1 N2 1.210(5) . ?
N2 N3 1.157(5) . ?
N4 N5 1.214(4) . ?
N5 N6 1.156(4) . ?
C1 C5 1.416(6) . ?
C1 C2 1.445(5) . ?
C1 C6 1.505(5) . ?
C2 C3 1.436(6) . ?
C2 C7 1.496(6) . ?
C3 C4 1.403(6) . ?
C3 C8 1.515(5) . ?
C4 C5 1.456(5) . ?
C4 C9 1.494(6) . ?
C5 C10 1.491(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.378(6) . ?
C11 C16 1.388(6) . ?
C12 C13 1.382(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.372(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.380(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.395(5) . ?
C17 C22 1.404(6) . ?
C18 C19 1.385(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.387(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.381(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.373(6) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.395(5) . ?
C23 C24 1.399(6) . ?
C24 C25 1.382(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.373(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(6) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Rh1 N4 87.91(13) . . ?
N1 Rh1 C2 105.61(14) . . ?
N4 Rh1 C2 155.72(15) . . ?
N1 Rh1 C5 151.17(14) . . ?
N4 Rh1 C5 94.56(14) . . ?
C2 Rh1 C5 63.87(15) . . ?
N1 Rh1 C4 112.54(14) . . ?
N4 Rh1 C4 92.54(14) . . ?
C2 Rh1 C4 63.80(15) . . ?
C5 Rh1 C4 38.71(14) . . ?
N1 Rh1 C3 91.41(14) . . ?
N4 Rh1 C3 123.45(14) . . ?
C2 Rh1 C3 38.33(15) . . ?
C5 Rh1 C3 63.36(15) . . ?
C4 Rh1 C3 37.21(15) . . ?
N1 Rh1 C1 143.55(15) . . ?
N4 Rh1 C1 127.53(14) . . ?
C2 Rh1 C1 38.46(15) . . ?
C5 Rh1 C1 37.48(14) . . ?
C4 Rh1 C1 63.65(15) . . ?
C3 Rh1 C1 63.52(15) . . ?
N1 Rh1 P1 88.18(10) . . ?
N4 Rh1 P1 86.93(9) . . ?
C2 Rh1 P1 113.08(11) . . ?
C5 Rh1 P1 120.62(11) . . ?
C4 Rh1 P1 159.25(11) . . ?
C3 Rh1 P1 149.59(11) . . ?
C1 Rh1 P1 100.57(11) . . ?
C17 P1 C11 104.80(18) . . ?
C17 P1 C23 103.25(18) . . ?
C11 P1 C23 101.99(18) . . ?
C17 P1 Rh1 114.80(13) . . ?
C11 P1 Rh1 113.19(13) . . ?
C23 P1 Rh1 117.20(13) . . ?
N2 N1 Rh1 118.9(3) . . ?
N3 N2 N1 176.8(4) . . ?
N5 N4 Rh1 115.9(3) . . ?
N6 N5 N4 175.7(4) . . ?
C5 C1 C2 107.8(3) . . ?
C5 C1 C6 127.2(4) . . ?
C2 C1 C6 124.9(4) . . ?
C5 C1 Rh1 70.7(2) . . ?
C2 C1 Rh1 69.3(2) . . ?
C6 C1 Rh1 129.4(3) . . ?
C3 C2 C1 107.5(4) . . ?
C3 C2 C7 124.8(4) . . ?
C1 C2 C7 126.7(4) . . ?
C3 C2 Rh1 71.9(2) . . ?
C1 C2 Rh1 72.2(2) . . ?
C7 C2 Rh1 130.2(3) . . ?
C4 C3 C2 108.8(4) . . ?
C4 C3 C8 125.9(4) . . ?
C2 C3 C8 125.2(4) . . ?
C4 C3 Rh1 71.2(2) . . ?
C2 C3 Rh1 69.8(2) . . ?
C8 C3 Rh1 124.4(3) . . ?
C3 C4 C5 107.7(3) . . ?
C3 C4 C9 129.0(4) . . ?
C5 C4 C9 123.2(4) . . ?
C3 C4 Rh1 71.6(2) . . ?
C5 C4 Rh1 70.6(2) . . ?
C9 C4 Rh1 125.5(3) . . ?
C1 C5 C4 108.1(3) . . ?
C1 C5 C10 128.1(4) . . ?
C4 C5 C10 123.4(4) . . ?
C1 C5 Rh1 71.9(2) . . ?
C4 C5 Rh1 70.7(2) . . ?
C10 C5 Rh1 129.1(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 118.6(4) . . ?
C12 C11 P1 118.6(3) . . ?
C16 C11 P1 122.7(3) . . ?
C11 C12 C13 121.5(4) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C14 C13 C12 119.7(4) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 119.5(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 120.9(5) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C11 119.8(4) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C18 C17 C22 118.6(4) . . ?
C18 C17 P1 122.3(3) . . ?
C22 C17 P1 119.1(3) . . ?
C19 C18 C17 120.5(4) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 120.0(4) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C17 120.5(4) . . ?
C21 C22 H22 119.8 . . ?
C17 C22 H22 119.8 . . ?
C28 C23 C24 118.6(4) . . ?
C28 C23 P1 118.1(3) . . ?
C24 C23 P1 122.9(3) . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 121.0(4) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C27 C26 C25 119.5(4) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C28 120.4(4) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 120.5(4) . . ?
C27 C28 H28 119.7 . . ?
C23 C28 H28 119.7 . . ?

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.848
_refine_diff_density_min         -1.161
_refine_diff_density_rms         0.120
_database_code_depnum_ccdc_archive 'CCDC 1013155'
